- InChI
- InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h6-7H,5H2,1-4H3
- InChI Key
- WCMUAGGUXKQBSS-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CC(C)=CCC=C(C)C
- Molecular Weight1
- 124.22
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 168.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 3.309 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2581.96 | kPa | Joback Calculated Property |
| Inp | [877.00; 907.00] |
|
|
| Inp | 905.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 905.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 877.00 | NIST | |
| Tboil | 413.40 | K | Joback Calculated Property |
| Tc | 600.31 | K | Joback Calculated Property |
| Tfus | 153.11 | K | Joback Calculated Property |
| Vc | 0.501 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.17; 318.56] | J/mol×K | [413.40; 600.31] |
|
| Cp,gas | 243.17 | J/mol×K | 413.40 | Joback Calculated Property |
| Cp,gas | 257.46 | J/mol×K | 444.55 | Joback Calculated Property |
| Cp,gas | 271.01 | J/mol×K | 475.70 | Joback Calculated Property |
| Cp,gas | 283.86 | J/mol×K | 506.86 | Joback Calculated Property |
| Cp,gas | 296.05 | J/mol×K | 538.01 | Joback Calculated Property |
| Cp,gas | 307.60 | J/mol×K | 569.16 | Joback Calculated Property |
| Cp,gas | 318.56 | J/mol×K | 600.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethyl-2,5-heptadiene.
Sources
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